1-endo-Bourbonanol
PubChem CID: 6430727
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-endo-Bourbonanol, REMBOHXSSMDHAC-UHFFFAOYSA-N, Q67866102 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C3CCCC3C12 |
| Np Classifier Class | Bourbonane sesquiterpenoids |
| Deep Smiles | C=CCCCC5CC4C)CCC5O)CC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2C3CCCC3C12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-10-methylidene-3-propan-2-yltricyclo[5.3.0.02,6]decan-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC2C3CCCC3C12 |
| Inchi Key | REMBOHXSSMDHAC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-endo-bourbonanol, bourbonanol-endo-1, bourbonanol-endo-1*, endo-1-bourbonanol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | 1-endo-Bourbonanol |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-9(2)15(16)8-7-14(4)11-6-5-10(3)12(11)13(14)15/h9,11-13,16H,3,5-8H2,1-2,4H3 |
| Smiles | CC(C)C1(CCC2(C1C3C2CCC3=C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662610 - 2. Outgoing r'ship
FOUND_INto/from Dysphania Botrys (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643608 - 3. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700751 - 4. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643486 - 5. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698036 - 6. Outgoing r'ship
FOUND_INto/from Juniperus Polycarpos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1427637 - 7. Outgoing r'ship
FOUND_INto/from Juniperus Semiglobosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698036 - 8. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643545 - 9. Outgoing r'ship
FOUND_INto/from Pinus Canariensis (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200007/08)15:4<266::aid-ffj908>3.0.co;2-e - 10. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417747